propan-2-yl 3-butyl-6-[3-(heptanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: propan-2-yl 3-butyl-6-[3-(heptanoylamino)phenyl]-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 3-butyl-6-[3-(heptanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-butyl-4-methyl-2-oxo-6-[3-(1-oxoheptylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-butyl-6-[3-(heptanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-butyl-6-[3-(enanthylamino)phenyl]-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C26H39N3O4 MolecularWeight: 457.60556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OC(C)C

Isomeric SMILES

CCCCCCC(=O)NC1=CC=CC(=C1)C2C(=C(N(C(=O)N2)CCCC)C)C(=O)OC(C)C

InChI

InChI=1S/C26H39N3O4/c1-6-8-10-11-15-22(30)27-21-14-12-13-20(17-21)24-23(25(31)33-18(3)4)19(5)29(16-9-7-2)26(32)28-24/h12-14,17-18,24H,6-11,15-16H2,1-5H3,(H,27,30)(H,28,32)